4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

C6H4N2O2S — CID 24815611

IUPAC4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2scnc2[nH]1
InChIInChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
InChIKeyLUMJVOCXIGRWEH-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.32
Rot. Bonds1

About 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 24815611) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
PubChem CID24815611
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2scnc2[nH]1
InChIInChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
InChIKeyLUMJVOCXIGRWEH-UHFFFAOYSA-N
XLogP1.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 67366831
1-(4H-Pyrrolo[2,3-d]thiazol-5-yl)ethanone
CID 15665817
ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 18405245
4-[(3,4-Difluorophenyl)methyl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 18405237
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 142758590
2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 156196462
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;4-(trifluoromethyl)aniline
CID 160216431
ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 175975947
Methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 134833708
2-(Trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82389311
1h-Thieno[2,3-d]imidazole-5-carboxylic acid
CID 15321289
4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid
CID 44543976

Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 24815611) is 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is O=C(O)c1cc2scnc2[nH]1.
What is the InChIKey of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is LUMJVOCXIGRWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10).
What are the key properties of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 168.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 24815611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).